5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid

C15H6F2O4 — CID 135305382

IUPAC5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)c1c(F)ccc(F)c1C2=O
InChIInChI=1S/C15H6F2O4/c16-9-3-4-10(17)12-11(9)13(18)7-2-1-6(15(20)21)5-8(7)14(12)19/h1-5H,(H,20,21)
InChIKeyVVVJTDVXIMBTKT-UHFFFAOYSA-N
MW288.20 g/mol
LogP2.44
Rot. Bonds1

About 5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid

5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid (PubChem CID 135305382) has the molecular formula C15H6F2O4 and a molecular weight of 288.20 g/mol. Its IUPAC name is 5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid.

Molecular Properties

Compound Name5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid
PubChem CID135305382
Molecular FormulaC15H6F2O4
Molecular Weight288.20 g/mol
Exact Mass288.02
IUPAC Name5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)c1c(F)ccc(F)c1C2=O
InChIInChI=1S/C15H6F2O4/c16-9-3-4-10(17)12-11(9)13(18)7-2-1-6(15(20)21)5-8(7)14(12)19/h1-5H,(H,20,21)
InChIKeyVVVJTDVXIMBTKT-UHFFFAOYSA-N
XLogP2.44
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
CID 174801705
9,10-dioxoanthracene-2-carboxylic acid;gold
CID 175791261
9,10-dioxoanthracene-1,2,6-tricarboxylic acid
CID 150170730
6-amino-9,10-dioxoanthracene-2-carboxylic acid
CID 154137523
4-(2,6-difluoro-3-methylphenyl)-3-fluorobenzoic acid
CID 82822983
9,10-dioxo-6-sulfoanthracene-2-carboxylic acid
CID 20530067
3-(2,4-difluorophenyl)-4-fluorobenzoic acid
CID 52984009
9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid
CID 144801520
(2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid
CID 155555177
3-fluoro-4-(4-fluoro-2,6-dimethylphenyl)benzoic acid
CID 106879243
1-amino-4-nitro-9,10-dioxoanthracene-2,6-dicarboxylic acid
CID 142641677
biphenylene-2-carboxylic acid;hydrochloride
CID 70419826

Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid?
The IUPAC name of 5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid (CID 135305382) is 5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid.
What is the SMILES notation for 5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid?
The canonical SMILES for 5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)c1c(F)ccc(F)c1C2=O.
What is the InChIKey of 5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid?
The InChIKey is VVVJTDVXIMBTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F2O4/c16-9-3-4-10(17)12-11(9)13(18)7-2-1-6(15(20)21)5-8(7)14(12)19/h1-5H,(H,20,21).
What are the key properties of 5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid?
5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid has a molecular weight of 288.20 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-9,10-dioxoanthracene-2-carboxylic acid is sourced from PubChem (CID 135305382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).